Glycoside
GD137585
Name:
4-hydroxy-3-(hydroxymethyl)-4-methyl-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclopentyl 4-methoxybenzoateFormula:
C23H34O11Smiles:
COc1ccc(C(=O)OC2CC(C)(O)C(CO)C2CCOC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(C(=O)OC2CC(C)(O)C(CO)C2CCO)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 486.51 | Num_heavy_atoms: | 34 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD55574
Formula: C17H24O6
Smiles:
COc1ccc(C(=O)OC2CC(C)(O)C(CO)C2CCO)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.37 | Num_heavy_atoms: | 23 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
